Information card for entry 8101678

Structure parameters

• Chemical name: syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl-4H-thiopyran-1-oxide
• Formula: C30 H21 F3 O S
• Calculated formula: C30 H21 F3 O S
• Title of publication: Crystal structure of syn-4-(p-trifluoromethylphenyl)-2,4,6-triphenyl- 4H-thiopyran-1-oxide, C~30~H~21~F~3~OS
• Authors of publication: F. Jafarpour; H. Pirelahi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 15 - 16
• a: 20.269 ± 0.005 Å
• b: 9.858 ± 0.002 Å
• c: 12.641 ± 0.003 Å
• α: 90°
• β: 107.719 ± 0.005°
• γ: 90°
• Cell volume: 2406 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No